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デジタル記事
インターネットで読める全国の図書館
デジタル記事
全国の図書館
- 要約等<jats:p>In the calculations of tetragonal BaTiO3, some exchange-correlation (XC) energy functionals such as local ......good agreement with experiments at......ority compared with other XC functionals. This is due t......r compensation of the RT effect ......in the heavily strained case such as d......tive XC energy functionals for strained BaTiO3, we propose a ......rison, i.e., a criterion. This criterion is the propert......s at 0 K given by the Ginzburg-Landau (GL) theory because GL theory is a thermodyn......ic description of experiments wo......s as ab initio calculations. With this criterion, we examine LDA, generalized ...
- 参照Examination of permittivity f......rization field of ferroelectric by ab initio calculation, suggesting hi......isms Breakdown of ion-polarizati......braic formulas of accurate polar...... ferroelectric by unification of polar disconti......s and criteria of intrinsicality
デジタル記事
インターネットで読める全国の図書館
- 要約等In the calculations of tetragonal BaTiO3, some exchange-correlation (XC) energy functionals such as local ......good agreement with experiments at......ority compared with other XC functionals. This is due t......r compensation of the RT effect ......in the heavily strained case such as d......tive XC energy functionals for strained BaTiO3, we propose a ......rison, i.e., a criterion. This criterion is the propert......s at 0 K given by the Ginzburg-Landau (GL) theory because GL theory is a thermodyn......ic description of experiments wo......s as ab initio calculations. With this criterion, we examine LD......ta-GGA + local correlation potential (U), and hybrid fun...
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